3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: 3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(4,7-dimethyl-2-oxo-chromen-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(2-keto-4,7-dimethyl-chromen-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propionamide Formula: C26H33N2O3S+ MolecularWeight: 453.61682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CCC2=C(C3=C(C=C(C=C3)C)OC2=O)C)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)CCC2=C(C3=C(C=C(C=C3)C)OC2=O)C)C4=CC=CS4

InChI

InChI=1S/C26H32N2O3S/c1-17-10-12-28(13-11-17)22(24-5-4-14-32-24)16-27-25(29)9-8-21-19(3)20-7-6-18(2)15-23(20)31-26(21)30/h4-7,14-15,17,22H,8-13,16H2,1-3H3,(H,27,29)/p+1/t22-/m1/s1